MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00681912

Type: Neutral
Formula: C₂₃H₁₉FN₄O₄

SMILES:

Fc1ccc(NC(=O)Cn2cc(c3c2cccc3)C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1

InChI:

InChI=1/C23H19FN4O4/c1-26-21(30)18(22(31)27(2)23(26)32)11-14-12-28(19-6-4-3-5-17(14)19)13-20(29)25-16-9-7-15(24)8-10-16/h3-12H,13H2,1-2H3,(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.1143 kcal/mol

Physical Properties
Molecular Weight: 434.427 g/mol	logS: -5.07444	SlogP: 3.1193	Reactive groups: 0

Topological Properties
Globularity: 0.121025	Sterimol/B1: 2.55001	Sterimol/B2: 2.76736	Sterimol/B3: 6.27039
Sterimol/B4: 8.90973	Sterimol/L: 18.6863

Surface and Volume Properties
Accessible surface: 690.663	Positive charged surface: 427.509	Negative charged surface: 258.47	Volume: 386.75
Hydrophobic surface: 566.323	Hydrophilic surface: 124.34

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.